2,8-Bis(trifluoromethyl)-4-bromoquinoline - CAS 35853-45-3
Catalog: |
BB022771 |
Product Name: |
2,8-Bis(trifluoromethyl)-4-bromoquinoline |
CAS: |
35853-45-3 |
Synonyms: |
4-bromo-2,8-bis(trifluoromethyl)quinoline; 4-bromo-2,8-bis(trifluoromethyl)quinoline |
IUPAC Name: | 4-bromo-2,8-bis(trifluoromethyl)quinoline |
Description: | 2,8-Bis(trifluoromethyl)-4-bromoquinoline (CAS# 35853-45-3) is a useful research chemical. |
Molecular Weight: | 344.05 |
Molecular Formula: | C11H4BrF6N |
Canonical SMILES: | C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2Br)C(F)(F)F |
InChI: | InChI=1S/C11H4BrF6N/c12-7-4-8(11(16,17)18)19-9-5(7)2-1-3-6(9)10(13,14)15/h1-4H |
InChI Key: | DXALAFAFIXJDOS-UHFFFAOYSA-N |
Boiling Point: | 281.6 °C at 760 mmHg |
Density: | 1.72 g/cm3 |
MDL: | MFCD00075340 |
LogP: | 5.03490 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-103304538-B | Method for synthesizing dextromefloquine | 20130621 |
AU-2012230378-B2 | Heterocyclic amine derivatives | 20110324 |
CA-2828283-A1 | Heterocyclic amine derivatives | 20110324 |
EP-2688870-A1 | Heterocyclic amine derivatives | 20110324 |
EP-2688870-B1 | Heterocyclic amine derivatives | 20110324 |
PMID | Publication Date | Title | Journal |
20149249 | 20100211 | Anti-malarial activity of a non-piperidine library of next-generation quinoline methanols | Malaria journal |
Complexity: | 328 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 342.94313 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 342.94313 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.7 |
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Quinoline/Isoquinoline
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